SCHEMBL7625404

SCHEMBL7625404

CC(C)(C)c1cc(C(F)(F)P(=O)(O)O)c(Br)c(C(C)(C)C)c1CC(c1ccccc1)c1nc(-c2ccccc2)no1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.45
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 7/20 0.36
PTPN2 P17706 1/20 0.36
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
NR2F2 P24468 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR4 O95977 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7620396 0.85 S1PR1 (0.35) PTPN1S1PR1S1PR3PTPN2
SCHEMBL7623928 0.78 PTPN1 (0.57) PTPN1S1PR1S1PR3PTPN2S1PR4
SCHEMBL6846458 0.76 PTPN1 (0.59) PTPN1PTPN2LMNAHTTSMN1; SMN2
SCHEMBL7620180 0.76 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL7626428 0.72 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL5398102 0.70 PGK1 (0.44) PTPN1PTPN2
SCHEMBL7625402 0.70 PTPN1 (0.50) PTPN1S1PR1S1PR3PTPN2TSHR
SCHEMBL7618272 0.68 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL7623935 0.66 PTPN1 (0.55) PTPN1S1PR1S1PR3S1PR4
SCHEMBL7585734 0.62 PTPN1 (0.56) PTPN1S1PR1S1PR3PTPN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US disclosed
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PPM1B, PTPRO, PTPA PTPN1 13/4885S1PR1 2885/4885S1PR3 4002/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.